Information card for entry 4122138

Structure parameters

• Formula: C24 H31 Br O2
• Calculated formula: C24 H31 Br O2
• SMILES: Brc1ccc([C@H](C(=O)OC)CC2=CC[C@@]34[C@H](C)CC[C@H]4C([C@H]2C3)(C)C)cc1
• Title of publication: Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.
• Authors of publication: Qin, Changming; Davies, Huw M. L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 27
• Pages of publication: 9792 - 9796
• a: 5.7478 ± 0.0016 Å
• b: 19.923 ± 0.005 Å
• c: 37.012 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4238 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1457
• Residual factor for significantly intense reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.3067
• Weighted residual factors for all reflections included in the refinement: 0.3137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No